1-methylpyrrole-2-carbohydrazide

C6H9N3O — CID 2763610

IUPAC1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NN
InChIInChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10)
InChIKeyJPZLSTHDNAMYND-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.37
Rot. Bonds1

About 1-methylpyrrole-2-carbohydrazide

1-methylpyrrole-2-carbohydrazide (PubChem CID 2763610) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methylpyrrole-2-carbohydrazide
PubChem CID2763610
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NN
InChIInChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10)
InChIKeyJPZLSTHDNAMYND-UHFFFAOYSA-N
XLogP-0.37
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 1-methylpyrrole-2-carbohydrazide (CID 2763610) is 1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NN.
What is the InChIKey of 1-methylpyrrole-2-carbohydrazide?
The InChIKey is JPZLSTHDNAMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10).
What are the key properties of 1-methylpyrrole-2-carbohydrazide?
1-methylpyrrole-2-carbohydrazide has a molecular weight of 139.16 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 2763610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).